Geometry & MOs

Info

ID:	254269
PubChem CID:	103123847
Reduced:	SO2N7C11H11 (1)
Stoich.:	AB2C7D11E11 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	79.41
Dipole, Da:	4.62
IP(EA), eV:	-9.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-butan-2-yl-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=C2S(=O)(=O)N)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations